Geometry & MOs

Info

ID:	289743
PubChem CID:	104372308
Reduced:	ClN2O2F3H10C13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	-222.28
Dipole, Da:	5.26
IP(EA), eV:	-10.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(2-methoxypyridin-4-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N(C1=O)CC2=CC=CC=C2C(F)(F)F)Cl

DOS

IR

Vibrations